SCHEMBL25047438

SCHEMBL25047438

Oc1cc(Cl)cc(C2CCC(n3cc(Br)c4c(Cl)ncnc43)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 3/20 0.42
▸ RET P07949 3/20 0.32
▸ RIPK2 O43353 2/20 0.32
▸ ABL1 P00519 5/20 0.32
▸ EGFR P00533 5/20 0.32
▸ ABL2 P42684 5/20 0.32
▸ SRC P12931 4/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ NPM1 P06748 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ MET P08581 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ BCR P11274 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18640950 0.78 ADK (0.54) ADKRETRIPK2ABL1EGFR
SCHEMBL25048737 0.78 RIPK2 (0.41) ADKRETRIPK2ABL1EGFR
SCHEMBL24293872 0.74 ADK (0.40) ADKRIPK2ABL1EGFRABL2
SCHEMBL1942725 0.73 ADK (0.52) ADKRETABL1EGFRABL2
SCHEMBL25048704 0.72 ADK (0.45) ADKRETRIPK2ABL1EGFR
SCHEMBL16769982 0.70 ADK (0.52) ADKRETABL1EGFRABL2
SCHEMBL29780875 0.70 ADK (0.52) ADKRETABL1EGFRABL2
SCHEMBL868173 0.69 ADK (0.54) ADKRETSRCLCK
SCHEMBL25612068 0.69 ADK (0.51) ADKRETRIPK2ABL1EGFR
SCHEMBL25048645 0.69 ADK (0.42) ADKABL1EGFRABL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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